SCHEMBL4140252

SCHEMBL4140252

CCOC(=O)C(C)c1ccc(N)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.43
ALDH1A1 P00352 5/20 0.41
GAA P10253 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
HTT P42858 2/20 0.39
ALOX12 P18054 1/20 0.39
HIF1A Q16665 1/20 0.39
CA12 O43570 4/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4136277 0.88 ALDH1A1 (0.57) MT-CO2ALDH1A1GAAHSD17B10HPGD
SCHEMBL4128444 0.87 PSEN1 (0.42) MT-CO2ALDH1A1GAAHSD17B10HPGD
SCHEMBL14797820 0.86 PSEN1 (0.41) MT-CO2ALDH1A1HSD17B10HPGDPSEN1
SCHEMBL490910 0.85 CA12 (0.53) MT-CO2ALDH1A1GAAHSD17B10HPGD
SCHEMBL9743420 0.83 PSEN1 (0.45) ALDH1A1HSD17B10HPGDALOX15PSEN1
SCHEMBL4145321 0.83 KDM4E (0.40) MT-CO2ALDH1A1GAAHSD17B10HPGD
SCHEMBL30192767 0.83 PTGS2 (0.44) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL5948065 0.83 PTGS2 (0.44) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL13194468 0.82 HIF1A (0.45) MT-CO2ALDH1A1HSD17B10HPGDPSEN1
Hydrochloric Acid SCHEMBL11262474 0.82 SLC6A2 (0.44) ALDH1A1HSD17B10HPGDALOX15PSEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
CN-101679370-A Novel vanilloid receptor ligands and the use thereof for the production of pharmaceuticals GRUENENTHAL GMBH 2010-03-24 CN disclosed
EP-2137178-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2009-12-30 EP disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed
EP-1075476-B1 NOVEL BENZIMIDAZOLES AND BENZOXAZOLES ALTANA PHARMA AG (DE) 2003-06-04 EP disclosed
US-6294564-B1 ACUTE OR CHRONIC AIRWAY DISORDER, A DERMATOSIS, A DISORDER BASED ON EXCESSIVE RELEASE OF TNF OR LEIKOTRIENE, A DISORDER OF GRAFT-VERSUS-HOST REACTION, A TRANSPLANT REJECTION REACTION, A SYMPTOM OF SHOCK, A GENERALIZED INFLAMMATION IN BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-09-25 US disclosed
EP-1075476-A1 NOVEL BENZIMIDAZOLES AND BENZOXAZOLES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-02-14 EP disclosed
WO-1999057115-A1 NOVEL BENZIMIDAZOLES AND BENZOXAZOLES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-11-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 MT-CO2 2074/4885ALDH1A1 1590/4885GAA 1817/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 MT-CO2 2244/4885ALDH1A1 1566/4885GAA 1794/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.